diff --git a/src/data/valid/Database-metabolomics_calibration_example.yaml b/src/data/valid/Database-metabolomics_calibration_example.yaml new file mode 100644 index 0000000000..1342c73ad7 --- /dev/null +++ b/src/data/valid/Database-metabolomics_calibration_example.yaml @@ -0,0 +1,100 @@ +data_generation_set: +- id: nmdc:omprc-13-122e4240 + name: Froze_Core_2015_S1_20_30_19_Metab + description: Full scan GC-MS (but not GC QExactive, which is EI-HMS) + has_input: + - nmdc:bsm-13-kem2v355 + has_output: + - nmdc:dobj-13-vws2zc98 + processing_institution: EMSL + type: nmdc:MassSpectrometry + alternative_identifiers: + - emsl:499777 + analyte_category: metabolome + associated_studies: + - nmdc:sty-11-aygzgv51 + instrument_used: + - nmdc:inst-14-fas8ny90 + has_calibration: nmdc:calib-14-dy7mc666 + eluent_introduction_category: gas_chromatography + end_date: '2016-05-24 18:54:29.000' + has_chromatography_configuration: nmdc:chrcon-14-qpvt3v15 + has_mass_spectrometry_configuration: nmdc:mscon-14-5jk7rg60 + mod_date: '2024-11-07T15:02:18' + start_date: '2016-05-24 18:17:00.000' +- id: nmdc:omprc-13-24x1t789 + name: Froze_Core_2015_S1_50_60_23_Metab + description: Full scan GC-MS (but not GC QExactive, which is EI-HMS) + has_input: + - nmdc:bsm-13-an5fyr03 + has_output: + - nmdc:dobj-13-5ns4b366 + - nmdc:dobj-13-rf3br219 + processing_institution: EMSL + type: nmdc:MassSpectrometry + alternative_identifiers: + - emsl:499640 + analyte_category: metabolome + associated_studies: + - nmdc:sty-11-aygzgv51 + instrument_used: + - nmdc:inst-14-fas8ny90 + has_calibration: nmdc:calib-14-dy7mc666 + eluent_introduction_category: gas_chromatography + end_date: '2016-05-24 15:20:29.000' + has_chromatography_configuration: nmdc:chrcon-14-qpvt3v15 + has_mass_spectrometry_configuration: nmdc:mscon-14-5jk7rg60 + mod_date: '2024-11-07T15:02:18' + start_date: '2016-05-24 14:43:00.000' +- id: nmdc:omprc-13-2ej6ck07 + name: Froze_Core_2015_S2_30_40_15_Metab + description: Full scan GC-MS (but not GC QExactive, which is EI-HMS) + has_input: + - nmdc:bsm-13-vqk1y255 + has_output: + - nmdc:dobj-13-f3b04f08 + processing_institution: EMSL + type: nmdc:MassSpectrometry + alternative_identifiers: + - emsl:499451 + analyte_category: metabolome + associated_studies: + - nmdc:sty-11-aygzgv51 + instrument_used: + - nmdc:inst-14-fas8ny90 + eluent_introduction_category: gas_chromatography + end_date: '2016-05-23 15:28:29.000' + has_chromatography_configuration: nmdc:chrcon-14-qpvt3v15 + has_mass_spectrometry_configuration: nmdc:mscon-14-5jk7rg60 + mod_date: '2024-11-07T15:02:18' + start_date: '2016-05-23 14:51:00.000' +calibration_set: +- id: nmdc:calib-14-93cjjw92 + calibration_object: nmdc:dobj-13-rf3br219 + name: GCMS FAMES calibration (GCMS_FAMEs_01_GCMS01_20160523) + description: Full scan GC-MS FAMES calibration run (GCMS_FAMEs_01_GCMS01_20160523) + internal_calibration: false + calibration_target: retention_index + calibration_standard: fames + type: nmdc:CalibrationInformation +data_object_set: +- id: nmdc:dobj-13-rf3br219 + name: 'output: GCMS_FAMEs_01_GCMS01_20160523' + description: Full scan GC-MS (but not GC QExactive, which is EI-HMS) + file_size_bytes: 1818624 + type: nmdc:DataObject + data_object_type: Reference Calibration File +workflow_execution_set: +- type: nmdc:MetabolomicsAnalysis + has_input: + - nmdc:dobj-13-f3b04f08 + - nmdc:dobj-13-rf3br219 + has_output: + - nmdc:dobj-13-hrf1h918 + id: nmdc:wfmb-13-r954ws43.1 + has_calibration: nmdc:calib-14-93cjjw92 + ended_at_time: '2021-01-07T23:54:40Z' + execution_resource: EMSL-RZR + git_url: https://github.com/microbiomedata/metaMS + started_at_time: '2021-01-07T23:54:40Z' + was_informed_by: nmdc:omprc-13-2ej6ck07